4-(4-Methoxyphenyl)iminopentan-2-one
Basic information
- CAS
20010-38-2- Standard SMILES
COc1ccc(N=C(C)CC(C)=O)cc1- InChIKey
KVXBWNALARBTOX-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)iminopentan-2-one
- IUPAC
- 4-(4-methoxyphenyl)iminopentan-2-one
- English name
- 4-(4-methoxyphenyl)iminopentan-2-one
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
4-(4-methoxyphenyl)iminopentan-2-one20010-38-2NSC152044N-(1-Methyl-3-oxobutylidene)-4-methoxyanilineKVXBWNALARBTOX-LCYFTJDESA-NAKOS025150717NSC-1520444-[(4-methoxyphenyl)imino]-2-pentanone(4Z)-4-[(4-Methoxyphenyl)imino]-2-pentanone #2-Pentanone, 4-[(4-methoxyphenyl)imino]-
Database identifiers
- CAS
20010-38-2- PubChem CID
- 289787
- Nikkaji
- J599.883B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 309 · 309.0±42.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 4.89 · 4.89±0.50(Predicted)
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Related reactions
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Compound notes
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